SCHEMBL8723231

SCHEMBL8723231

O=c1[nH]nnn1-c1ccc(OCC(F)(F)C(F)(F)F)cc1

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MGAT2 Q10469 9/20 0.36
MOGAT2 Q3SYC2 9/20 0.36
L3MBTL1 Q9Y468 2/20 0.35
POLB P06746 1/20 0.35
TRPM8 Q7Z2W7 1/20 0.35
MMP13 P45452 1/20 0.34
MMP14 P50281 1/20 0.34
PRMT1 Q99873 1/20 0.33
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
PTGS1 P23219 1/20 0.31
PTGS2 P35354 1/20 0.31
CACNA2D1 P54289 1/20 0.31
CACNA2D2 Q9NY47 1/20 0.31

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL8720958 0.89 PRMT1 (0.41) MGAT2MOGAT2L3MBTL1POLBTRPM8
SCHEMBL8718627 0.84 HTT (0.41) MGAT2MOGAT2L3MBTL1POLBTRPM8
SCHEMBL5905912 0.79 L3MBTL1 (0.55) L3MBTL1POLBTRPM8PRMT1ALDH1A1
SCHEMBL8718771 0.78 MMP13 (0.36) L3MBTL1POLBMMP13MMP14PRMT1
SCHEMBL8721370 0.77 HTT (0.48) L3MBTL1POLBMMP13MMP14NPC1
SCHEMBL8718585 0.75 L3MBTL1 (0.42) MGAT2MOGAT2L3MBTL1POLBTRPM8
SCHEMBL8598461 0.73 L3MBTL1 (0.48) L3MBTL1POLBALDH1A1NPC1RAB9A
SCHEMBL2161285 0.73 ATM (0.47) L3MBTL1KDM4EALDH1A1RAB9A
SCHEMBL8718863 0.71 CMA1 (0.37) L3MBTL1POLBMMP13MMP14ALDH1A1
SCHEMBL5906067 0.71 IDO1 (0.41) L3MBTL1ALDH1A1PTGS1PTGS2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0567982-B1 Azole compounds, their production and use TAKEDA CHEMICAL INDUSTRIES LTD (JP) 1998-07-01 EP disclosed
US-5466820-A Fungicides TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1995-11-14 US disclosed
US-5371101-A Fungicides TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1994-12-06 US disclosed
EP-0567982-A1 Azole compounds, their production and use Takeda Chemical Industries, Ltd. (JP) 1993-11-03 EP disclosed